0 B12R0.234 C=CCCCCCCCCC(O)=O Amb22353389 [0,0,0,0,0,0|0,0,4]=4 1 B12R0.234 C=CCCCCCCCCC(O)=O Amb22731323 [0,0,0,0,0,0|0,0,4]=4 2 B12R0.234 CC(=O)OCCCCCCCCBr Amb24063233 [0,0,0,0,0,0|3,0,1]=4 3 B12R0.234 CCCCCCCC/C=C/C(O)=O Amb17942922 [0,0,0,0,0,0|0,0,0]=0 4 B12R0.234 CCCCCCCCCCB(O)O Amb19958787 [0,0,0,0,0,0|1,0,3]=4 5 B12R0.234 CCCCCCCCCOC(=O)Cl Amb22732385 [0,0,0,0,0,0|2,0,1]=3 6 B12R0.234 CCCCCCCCCOC([S-])=S Amb19748280 [0,0,0,0,0,0|1,2,1]=4 7 B12R0.234 CCCCCCCC\N=C\C(C)C Amb10561683 [0,0,0,0,0,0|3,0,1]=4 8 B12R0.234 CCCCCCC\C=C\CC(C)=O Amb21963229 [0,0,0,0,0,0|1,0,2]=3 9 B12R0.234 NCCCCCCCCCC(=O)O Amb2229638 [0,0,0,0,0,0|1,0,2]=3 10 B11R0.3 CCCCCCCCCC[13CH]=[13CH2] Amb22351201 [1,0,0,0,0,0|1,0,2]=4 11 B11R0.3 CCCCCCCCCN=C=O Amb22336763 [1,0,0,0,0,0|1,0,2]=4 12 B11R0.3 CCCCCCCCOCC=O Amb18807440 [1,0,0,0,0,0|1,0,1]=3 13 B11R0.3 CCCCCCCCSCCO Amb1032988 [1,0,0,0,0,0|1,0,2]=4 14 B11R0.3 CCCCCCCC\C=C\C=O Amb22045177 [1,0,0,0,0,0|0,0,0]=1 15 B11R0.3 CCCCCCCC\C=C\CO Amb22052644 [1,0,0,0,0,0|0,0,1]=2 16 B11R0.3 CCCCCC\C=C\C=C\C=O Amb16233007 [1,0,0,0,0,0|0,0,2]=3 17 B11R0.3 CCCCCC\C=C\C=C\CO Amb22732394 [1,0,0,0,0,0|0,0,3]=4 18 B11R0.3 C\C=C\CCCCCCCCO Amb22641580 [1,0,0,0,0,0|2,0,1]=4 19 B11R0.3 O=CCCCCCCCCCBr Amb21963218 [1,0,0,0,0,0|1,0,2]=4 20 B11R0.148 C#CCCCCCCCC(O)=O Amb22388895 [1,0,0,0,0,0|0,0,3]=4 21 B11R0.148 CCCC=CCCCCC(O)=O Amb24063196 [1,0,0,0,0,0|0,0,3]=4 22 B11R0.148 CCCCC=CCCCC(O)=O Amb24062906 [1,0,0,0,0,0|0,0,3]=4 23 B11R0.148 CCCCCC=CCCC(O)=O Amb24079160 [1,0,0,0,0,0|0,0,3]=4 24 B11R0.148 CCCCCCCCC=C(C)C Amb22899462 [1,0,0,0,0,0|2,0,0]=3 25 B11R0.148 CCCCCCCCCC([O-])=O Amb22733551 [1,0,0,0,0,0|0,0,2]=3 26 B11R0.148 CCCCCCCCC[13C](O)=O Amb22353426 [1,0,0,0,0,0|0,0,1]=2 27 B11R0.148 CCCCCCCCC[C@H](C)O Amb20240616 [1,0,0,0,0,0|1,0,2]=4 28 B11R0.148 CCCCCCCCNC(=O)C Amb10562300 [1,0,0,0,0,0|2,0,0]=3 29 B11R0.148 CCCCCCCCNC(=S)N Amb1152183 [1,0,0,0,0,0|2,1,0]=4 30 B11R0.148 CCCCCCCCNC(N)=N Amb22338463 [1,0,0,0,0,0|3,0,0]=4 31 B11R0.148 CCCCCCCCOC([S-])=S Amb22334140 [1,0,0,0,0,0|1,2,0]=4 32 B11R0.148 CCCCCCCC[13CH2][13C](O)=O Amb22054843 [1,0,0,0,0,0|0,0,1]=2 33 B11R0.148 CCCCCCCNCC(O)=O Amb19373457 [1,0,0,0,0,0|1,0,1]=3 34 B11R0.148 CCCCCCC\C=C\B(O)O Amb2456042 [1,0,0,0,0,0|1,0,1]=3 35 B11R0.148 CCCCCC\C=C/C=C(C)C Amb22546455 [1,0,0,0,0,0|2,0,1]=4 36 B11R0.148 CCCCCC\C=C\CC(=O)O Amb10807476 [1,0,0,0,0,0|0,0,2]=3 37 B11R0.148 CCCCC\C=C\CCC(=O)O Amb17594266 [1,0,0,0,0,0|0,0,3]=4 38 B11R0.148 CCCCSCCCCC(=O)O Amb1032990 [1,0,0,0,0,0|1,0,1]=3 39 B11R0.148 CCC\C=C\CCCCC(O)=O Amb22411539 [1,0,0,0,0,0|0,0,3]=4 40 B11R0.148 CCNCCOCCCC(O)=O Amb18110845 [1,0,0,0,0,0|2,0,1]=4 41 B11R0.148 NCCCCSCCCC(=O)O Amb17500972 [1,0,0,0,0,0|2,0,1]=4 42 B11R0.148 OC(=O)CCCCCCCC=O Amb17939414 [1,0,0,0,0,0|1,0,2]=4 43 B11R0.148 [13CH3]CCCCCCCCC(O)=O Amb22367552 [1,0,0,0,0,0|0,0,1]=2 44 B13R0.1 CCCCCCC(=O)N\N=C\C(O)=O Amb19925672 [0,1,0,0,0,0|2,0,1]=4 45 B13R0.1 CCCCCCC(O)C\C=C\C(O)=O Amb22545321 [0,1,0,0,0,0|0,0,0]=1 46 B13R0.54 BrCCCCCCCCCCC(=O)N Amb16207966 [0,1,0,0,0,0|1,0,2]=4 47 B13R0.54 CCC#CCCC#CC\C=C\C(O)=O Amb24498256 [0,1,0,0,0,0|0,0,3]=4 48 B13R0.54 CCCCCCCCCC=CC(=O)O Amb13952752 [0,1,0,0,0,0|0,0,0]=1 49 B13R0.54 CCCCCCCCCCCC(O)=O Amb22348404 [0,1,0,0,0,0|0,0,2]=3 50 B13R0.54 CCCCCCCCCCCC(O)=O Amb22730643 [0,1,0,0,0,0|0,0,2]=3 51 B13R0.54 CCCCCCCCCCCC([O-])=O Amb17942849 [0,1,0,0,0,0|0,0,3]=4 52 B13R0.54 CCCCCCCCCCCC([O-])=O Amb22729066 [0,1,0,0,0,0|0,0,3]=4 53 B13R0.54 CCCCCCCCCCCC([O-])=O Amb22730602 [0,1,0,0,0,0|0,0,3]=4 54 B13R0.54 CCCCCCCCCCCC([O-])=O Amb22730786 [0,1,0,0,0,0|0,0,3]=4 55 B13R0.54 CCCCCCCCCCCC([O-])=O Amb22731774 [0,1,0,0,0,0|0,0,3]=4 56 B13R0.54 CCCCCCCCCCCC([O-])=O Amb22731775 [0,1,0,0,0,0|0,0,3]=4 57 B13R0.54 CCCCCCCCCCCC([O-])=O Amb22733752 [0,1,0,0,0,0|0,0,3]=4 58 B13R0.54 CCCCCCCCCCC[13C](O)=O Amb21928681 [0,1,0,0,0,0|0,0,2]=3 59 B13R0.54 CCCCCCCCCCC[14C](O)=O Amb22349630 [0,1,0,0,0,0|0,0,2]=3 60 B13R0.54 CCCCCCCCCCNC(=O)N Amb2228230 [0,1,0,0,0,0|1,0,2]=4 61 B13R0.54 CCCCCCCCCCOC(=O)Cl Amb22337976 [0,1,0,0,0,0|1,0,2]=4 62 B13R0.54 CCCCCCCCCC[13CH2]C(O)=O Amb22353612 [0,1,0,0,0,0|0,0,2]=3 63 B13R0.54 CCCCCCCCCC[13CH2][13C](O)=O Amb22353611 [0,1,0,0,0,0|0,0,2]=3 64 B13R0.54 CCCCCCCCSCCC(=O)N Amb10669601 [0,1,0,0,0,0|1,0,2]=4 65 B13R0.54 CCCCCCCCSCCC(=O)O Amb1038994 [0,1,0,0,0,0|0,0,2]=3 66 B13R0.54 CCCCCCCC[13CH2][13CH2][13CH2][13C](O)=O Amb22353609 [0,1,0,0,0,0|0,0,2]=3 67 B13R0.54 CCCCCCCC\C=N\NC(N)=N Amb22346896 [0,1,0,0,0,0|3,0,0]=4 68 B13R0.54 CCCCCCC\C=C\COC(C)=O Amb22730835 [0,1,0,0,0,0|1,0,2]=4 69 B13R0.54 CCCCCC\C=C/CCCC(O)=O Amb20672025 [0,1,0,0,0,0|0,0,3]=4 70 B13R0.54 CCCCSCCCCCCC(=O)O Amb1036584 [0,1,0,0,0,0|0,0,2]=3 71 B13R0.54 N#CCCCCCCCCCC(O)=O Amb22547629 [0,1,0,0,0,0|0,0,3]=4 72 B13R0.54 NCCCCCCCCCCC(=O)Cl Amb17143769 [0,1,0,0,0,0|1,0,2]=4 73 B13R0.54 NCCCCCCCCCCC([O-])=O Amb22353821 [0,1,0,0,0,0|0,0,3]=4 74 B13R0.54 OCCCCCCCCCCC(=O)O Amb1814707 [0,1,0,0,0,0|0,0,2]=3 75 B13R0.54 [13CH3]CCCCCCCCCCC(O)=O Amb22353502 [0,1,0,0,0,0|0,0,2]=3 76 B13R0.54 [13CH3]CCCCCCCCCC[13C](O)=O Amb22353610 [0,1,0,0,0,0|0,0,2]=3 77 B13R0.147 CCCCCCCCC#CC(=O)OC Amb22228923 [0,1,0,0,0,0|0,0,2]=3 78 B13R0.147 CCCCCCCCCCC(=O)C=O Amb24084923 [0,1,0,0,0,0|0,0,3]=4 79 B13R0.147 CCCCCCCCCNC(=O)CCl Amb17797886 [0,1,0,0,0,0|2,0,1]=4 80 B13R0.147 CCCCCCCCCOC(=O)C=C Amb20670989 [0,1,0,0,0,0|2,0,1]=4 81 B13R0.147 CCCCCCCCCOC(=O)CS Amb22369347 [0,1,0,0,0,0|1,1,1]=4 82 B13R0.147 CCCCCCC\C=C\CC(=O)CC Amb21963232 [0,1,0,0,0,0|1,0,2]=4 83 B13R0.147 OCCCCCCCCCC(=O)OC Amb13887310 [0,1,0,0,0,0|1,0,2]=4 84 B13R0.150 CC(=C)C(=O)OCCCCCCCC Amb22730596 [0,1,0,0,0,0|3,0,0]=4 85 B13R0.150 CC(CCCCCCCCO)C(O)=O Amb20246737 [0,1,0,0,0,0|1,0,2]=4 86 B13R0.150 CCCCCCCCCC(C)C(O)=O Amb18320092 [0,1,0,0,0,0|0,0,2]=3 87 B13R0.150 CCCCCCCCCC(O)C(O)=O Amb22224801 [0,1,0,0,0,0|0,0,2]=3 88 B13R0.150 CCCCCCCCNC(=O)C(C)O Amb22346363 [0,1,0,0,0,0|2,0,1]=4 89 B13R0.154 CCCCCCCC(O)CCC(O)=O Amb22058992 [0,1,0,0,0,0|0,0,2]=3 90 B13R0.154 CCCCCCCC(O)CCC([O-])=O Amb19148937 [0,1,0,0,0,0|0,0,3]=4 91 B13R0.179 CC(C)CCCCCCCCC(O)=O Amb21928890 [0,1,0,0,0,0|0,0,2]=3 92 B13R0.179 CC(CCCCCCCCC(=O)O)N Amb2229643 [0,1,0,0,0,0|0,0,2]=3 93 B13R0.202 CCC(C)CCCCCCCC(O)=O Amb21928874 [0,1,0,0,0,0|0,0,2]=3 94 B13R0.202 CCC(CCCCCCCC(=O)O)N Amb2229644 [0,1,0,0,0,0|0,0,2]=3 95 B13R0.202 OC(=O)CCCCCCCC(F)CBr Amb22547613 [0,1,0,0,0,0|1,0,2]=4 96 B13R0.280 CCCCCCCCCCS(O)(=O)=O Amb22348234 [0,1,0,0,0,0|1,0,2]=4 97 B13R0.280 CCCCCCCC\C=C\[B-](F)(F)F Amb20242642 [0,1,0,0,0,0|3,0,0]=4 98 B13R0.335 CCCCCCCCC(O)CC(O)=O Amb21928763 [0,1,0,0,0,0|0,0,2]=3 99 B13R1.27 CCCCCCCC1CCC(=O)O1 Amb1154110 [0,0,0,1,0,0|0,0,2]=3 100 B13R1.27 CCCCCCC[n]1ccc(N)[n]1 Amb18181455 [0,0,0,1,0,0|3,0,0]=4 101 B13R1.90 CCC1CCCCC1NNC(N)=O Amb25060729 [0,0,0,1,0,0|3,0,0]=4 102 B13R1.90 CCC1CCCCC1\C=C\C(C)=O Amb25197461 [0,0,0,1,0,0|1,0,0]=2 103 B13R1.90 CCC1CCCCC1\C=C\[N+]([O-])=O Amb25213746 [0,0,0,1,0,0|1,0,1]=3 104 B13R1.90 CCC1CCCCN1CCC(O)=O Amb21955365 [0,0,0,1,0,0|1,0,2]=4 105 B13R1.103 CCC1CCCC1N\C=C\C(O)=O Amb24601524 [0,0,0,1,0,0|1,0,0]=2 106 B13R1.103 COC1CCCC1N\C=C\C(O)=O Amb25191803 [0,0,0,1,0,0|2,0,0]=3 107 B13R1.158 CC1CCCCC1CCNC(N)=O Amb25246447 [0,0,0,1,0,0|2,0,1]=4 108 B13R1.158 CC1CCCCN1C\C=C\C(O)=O Amb18296429 [0,0,0,1,0,0|1,0,0]=2 109 B13R1.158 CC1COCCN1C\C=C\C(O)=O Amb18988790 [0,0,0,1,0,0|2,0,0]=3 110 B13R1.158 CC1CSCCN1C\C=C\C(O)=O Amb25275968 [0,0,0,1,0,0|2,0,0]=3 111 B13R1.158 CN1CCCCC1CNCC(O)=O Amb18313080 [0,0,0,1,0,0|2,0,1]=4 112 B13R1.158 OC(=O)\C=C\CN1CCCCC1=O Amb18988779 [0,0,0,1,0,0|2,0,1]=4 113 B13R1.158 OC1CCCCC1N\C=C\C(O)=O Amb24533695 [0,0,0,1,0,0|2,0,0]=3 114 B13R1.167 CC1CCCC1CN\C=C\C(O)=O Amb25303472 [0,0,0,1,0,0|1,0,0]=2 115 B13R1.167 CC1OCCC1CN\C=C\C(O)=O Amb24391822 [0,0,0,1,0,0|2,0,0]=3 116 B13R1.167 CN1CCCC1CN\C=C\C(O)=O Amb24495071 [0,0,0,1,0,0|2,0,0]=3 117 B13R1.167 OC1CCCC1CN\C=C\C(O)=O Amb25157085 [0,0,0,1,0,0|2,0,0]=3 118 B13R1.224 CCCC1CCCCCC1C(O)=O Amb24377494 [0,0,0,1,0,0|0,0,2]=3 119 B13R1.224 CCSC1CCCCCC1C(O)=O Amb18303070 [0,0,0,1,0,0|1,0,2]=4 120 B13R1.226 OCCC1CCCCCCC(=O)O1 Amb25284567 [0,0,0,1,0,0|1,0,2]=4 121 B13R1.279 O=C1CCCCCCCCCCC1 Amb1935123 [0,0,0,1,0,0|1,0,2]=4 122 B13R1.279 O=C1CCCCCCCCCCN1 Amb22011853 [0,0,0,1,0,0|1,0,2]=4 123 B13R1.279 O=C1NCCCCCCCCCN1 Amb24616274 [0,0,0,1,0,0|2,0,1]=4 124 B13R1.279 OC1C=CCCCCCCCC=C1 Amb25129797 [0,0,0,1,0,0|1,0,2]=4 125 B13R1.280 CC(=O)C=CC1=CCCCCC1C Amb24645441 [0,0,0,1,0,0|1,0,2]=4 126 B13R1.280 CC1CCCCCC1NCC(N)=O Amb24667329 [0,0,0,1,0,0|2,0,1]=4 127 B13R1.280 CC1CCCCCC1NCC(O)=O Amb24466628 [0,0,0,1,0,0|1,0,1]=3 128 B13R1.280 CC=1CCCCCC1\C=C\C(C)=O Amb25718362 [0,0,0,1,0,0|1,0,2]=4 129 B13R1.280 CN1CCCCCC1CCC(O)=O Amb18191306 [0,0,0,1,0,0|1,0,2]=4 130 B13R1.337 CC(=O)\C=C\C#CC1CCCCC1 Amb25192196 [0,0,0,1,0,0|1,0,2]=4 131 B13R1.337 NC(=O)CNCCC1CCCCC1 Amb13952496 [0,0,0,1,0,0|2,0,1]=4 132 B13R1.337 OC(=O)CCCCC1CCCCC1 Amb22336378 [0,0,0,1,0,0|0,0,2]=3 133 B13R1.337 OC(=O)CCCCN1CCCCC1 Amb19373622 [0,0,0,1,0,0|1,0,2]=4 134 B13R1.337 OC(=O)COCCC1CCCCN1 Amb18628209 [0,0,0,1,0,0|2,0,1]=4 135 B13R1.337 OC(=O)\C=C\C#CC1CCCCC1 Amb24711214 [0,0,0,1,0,0|0,0,2]=3 136 B13R1.337 OC(=O)\C=C\C=CC1CCCCN1 Amb25200812 [0,0,0,1,0,0|1,0,2]=4 137 B13R1.337 OC(=O)\C=C\C=CC1CCNCC1 Amb24571720 [0,0,0,1,0,0|1,0,2]=4 138 B13R1.337 OC(=O)\C=C\C=CC1CCOCC1 Amb25704076 [0,0,0,1,0,0|1,0,2]=4 139 B13R1.337 OC(=O)\C=C\C=CC1CNCCC1 Amb25219642 [0,0,0,1,0,0|1,0,2]=4 140 B13R1.337 OC(=O)\C=C\NCC1CCCCC1 Amb25038835 [0,0,0,1,0,0|1,0,0]=2 141 B13R1.337 OC(=O)\C=C\NCC1CCOCC1 Amb24757305 [0,0,0,1,0,0|2,0,0]=3 142 B13R1.337 OC(=O)\C=C\NCC=1CCCCC1 Amb24607173 [0,0,0,1,0,0|1,0,2]=4 143 B13R1.343 OC(=O)CNCCCN1CCCC1 Amb19058449 [0,0,0,1,0,0|2,0,1]=4 144 B13R1.380 C=CCC/1CCCC\C1=C/C(O)=O Amb22339292 [0,0,0,1,0,0|0,0,2]=3 145 B13R1.380 C=CCC/1CCCC\C1=C\C(O)=O Amb24711380 [0,0,0,1,0,0|0,0,2]=3 146 B13R1.380 CCCC1CCCCC1CC(O)=O Amb22339365 [0,0,0,1,0,0|0,0,2]=3 147 B13R1.380 CCCN1CCCCC1CC(O)=O Amb18304879 [0,0,0,1,0,0|1,0,2]=4 148 B13R1.380 CCOC1CCCCC1CC(O)=O Amb18191219 [0,0,0,1,0,0|1,0,2]=4 149 B13R1.380 COCC1CCCCN1CC(O)=O Amb21865524 [0,0,0,1,0,0|2,0,1]=4 150 B13R1.486 OCCCC1CCCCCC(=O)O1 Amb24569922 [0,0,0,1,0,0|1,0,2]=4 151 B13R1.572 CCCCN1CCCCC1C(=O)O Amb13886354 [0,0,0,1,0,0|1,0,2]=4 152 B13R1.572 CCCCN1CCCCC1C(=O)O Amb2382770 [0,0,0,1,0,0|1,0,2]=4 153 B13R1.610 CCC1CCCCCC1NC(=O)C Amb2227899 [0,0,0,1,0,0|2,0,1]=4 154 B13R1.610 CCC1CCCCCN1CC(N)=O Amb25090150 [0,0,0,1,0,0|2,0,1]=4 155 B13R1.610 CCC1CCCCCN1CC(O)=O Amb24349311 [0,0,0,1,0,0|1,0,1]=3 156 B13R1.610 CC[C@@H]1CCCCC[C@@H]1NC(C)=O Amb24560969 [0,0,0,1,0,0|2,0,1]=4 157 B13R1.610 CC[C@@H]1NCCCC[C@H]1CC(O)=O Amb18191310 [0,0,0,1,0,0|1,0,2]=4 158 B13R1.610 COC1CCCCCC1CC(O)=O Amb18822015 [0,0,0,1,0,0|1,0,2]=4 159 B13R1.610 OCC1CCCCCC1CC(O)=O Amb25101626 [0,0,0,1,0,0|1,0,2]=4 160 B13R1.610 OCC1CCCCCN1CC(O)=O Amb25696335 [0,0,0,1,0,0|2,0,1]=4 161 B13R1.614 CCC1CCCCCCC1C(O)=O Amb24710104 [0,0,0,1,0,0|0,0,2]=3 162 B13R1.670 CCCCCn1nncc1C(=O)O Amb17535386 [0,0,0,1,0,0|3,0,0]=4 163 B13R1.1009 OC(=O)C1CCCCCCCCC1 Amb25061287 [0,0,0,1,0,0|0,0,2]=3 164 B13R1.1009 OC(=O)C1CCCCNCCCC1 Amb24365928 [0,0,0,1,0,0|1,0,2]=4 165 B13R1.1009 OC(=O)C=1C=CCCCCCCC1 Amb24469345 [0,0,0,1,0,0|0,0,2]=3 166 B13R1.1009 OC(=O)C=1CCCCCCCCC1 Amb24711230 [0,0,0,1,0,0|0,0,0]=1 167 B13R1.1022 CC(=O)CCC1CCCCCCC1 Amb25120339 [0,0,0,1,0,0|1,0,2]=4 168 B13R1.1022 CC(=O)NCC1CCCCCCC1 Amb24072669 [0,0,0,1,0,0|2,0,1]=4 169 B13R1.1022 CC(=O)\C=C\C1CCCCCCC1 Amb24380069 [0,0,0,1,0,0|1,0,0]=2 170 B13R1.1022 CC(=O)\C=C\C=1CCCCCCC1 Amb25263119 [0,0,0,1,0,0|1,0,2]=4 171 B13R1.1022 CC(=O)\N=C/C1CCCCCCC1 Amb24073013 [0,0,0,1,0,0|2,0,0]=3 172 B13R1.1022 CC(Br)\C=C\C1CCCCCCC1 Amb24630896 [0,0,0,1,0,0|2,0,1]=4 173 B13R1.1022 CC(Cl)\C=C\C1CCCCCCC1 Amb25152904 [0,0,0,1,0,0|2,0,1]=4 174 B13R1.1022 NC(=O)CNC1CCCCCCC1 Amb1113527 [0,0,0,1,0,0|2,0,1]=4 175 B13R1.1022 NC(=O)NCC1CCCCCCC1 Amb25163666 [0,0,0,1,0,0|2,0,1]=4 176 B13R1.1022 NC(=O)\C=C\C1CCCCCCC1 Amb25791108 [0,0,0,1,0,0|1,0,0]=2 177 B13R1.1022 OC(=O)C#CC1CCCCCCC1 Amb25332789 [0,0,0,1,0,0|0,0,2]=3 178 B13R1.1022 OC(=O)CCN1CCCCCCC1 Amb21955684 [0,0,0,1,0,0|1,0,2]=4 179 B13R1.1022 OC(=O)CSC1CCCCCCC1 Amb25725888 [0,0,0,1,0,0|1,0,1]=3 180 B13R1.1022 OC(=O)\C=C\C1CCCCCCC1 Amb24397482 [0,0,0,1,0,0|0,0,0]=1 181 B13R1.1022 [O-][N+](=O)\C=C\C1CCCCCCC1 Amb25345338 [0,0,0,1,0,0|1,0,1]=3 182 B13R1.1107 CC(=O)NC=1CCCCCCCC1 Amb24619209 [0,0,0,1,0,0|2,0,1]=4 183 B13R1.1107 OC(=O)CC1CCCCCCCC1 Amb25279551 [0,0,0,1,0,0|0,0,2]=3 184 B13R1.1107 OC(=O)CN1CCCCCCCC1 Amb25169064 [0,0,0,1,0,0|1,0,1]=3 185 B13R1.1988 OC(=O)CCCN1CCCCCC1 Amb10072744 [0,0,0,1,0,0|1,0,2]=4 186 B13R1.1988 OC(=O)\C=C/C=C1CCCCCC1 Amb25784034 [0,0,0,1,0,0|0,0,2]=3 187 B13R1.1988 OC(=O)\C=C\CN1CCCCCC1 Amb18296443 [0,0,0,1,0,0|1,0,0]=2 188 B13R1.1988 OC(=O)\C=C\CN1CCNCCC1 Amb18296457 [0,0,0,1,0,0|2,0,0]=3 189 B13R1.1988 OC(=O)\C=C\CN1CCOCCC1 Amb18302459 [0,0,0,1,0,0|2,0,0]=3 190 B13R1.1988 OC(=O)\C=C\CN1CCSCCC1 Amb18296460 [0,0,0,1,0,0|2,0,0]=3 191 B13R1.1988 OC(=O)\C=C\CN1CCSSCC1 Amb24366581 [0,0,0,1,0,0|3,0,0]=4 192 B13R1.1988 OC(=O)\C=C\NC1CCCCCC1 Amb24731056 [0,0,0,1,0,0|1,0,0]=2 193 B13R1.1988 OC(=O)\C=C\NC1COCCOC1 Amb25297793 [0,0,0,1,0,0|3,0,0]=4 194 B13R1.3816 CN1CCCCCCCC1C(O)=O Amb25365310 [0,0,0,1,0,0|1,0,2]=4 195 B13R1.3816 NC1CCCCCCCC1C(O)=O Amb24436959 [0,0,0,1,0,0|1,0,2]=4 196 B10R0.71 C=CCCCCCCCCCl Amb22898754 [2,0,0,0,0,0|1,0,1]=4 197 B10R0.71 CCCCCC#C\C=C\C=O Amb25383534 [2,0,0,0,0,0|0,0,2]=4 198 B10R0.71 CCCCCC=CC=CC=O Amb24056155 [2,0,0,0,0,0|0,0,2]=4 199 B10R0.71 CCCCCCCCOC=O Amb22231360 [2,0,0,0,0,0|1,0,0]=3 200 B10R0.71 CCCCCCC\C=C/CO Amb10563790 [2,0,0,0,0,0|0,0,1]=3 201 B10R0.71 C\C=C\C=C\CCCCCC Amb22546597 [2,0,0,0,0,0|1,0,1]=4 202 B10R0.4 CCCCCC#CCC(O)=O Amb25384153 [2,0,0,0,0,0|0,0,2]=4 203 B10R0.4 CCCCCCCCB(O)O Amb2456044 [2,0,0,0,0,0|1,0,1]=4 204 B10R0.4 CCCCCCCCC([O-])=O Amb22729912 [2,0,0,0,0,0|0,0,1]=3 205 B10R0.4 CCCCCCCCS(=O)C Amb10553782 [2,0,0,0,0,0|2,0,0]=4 206 B10R0.4 CCCCCCCC[C@@H](C)O Amb19929333 [2,0,0,0,0,0|1,0,1]=4 207 B10R0.4 CCCCCCCC[C@@H](O)C Amb10068518 [2,0,0,0,0,0|1,0,1]=4 208 B10R0.4 CCCCCCCC[N+]([O-])=O Amb17672610 [2,0,0,0,0,0|1,0,1]=4 209 B10R0.4 CCCCCCCC[Sn](O)=O Amb22729697 [2,0,0,0,0,0|1,0,0]=3 210 B10R0.4 CCCCCCCNC(N)=O Amb17939018 [2,0,0,0,0,0|2,0,0]=4 211 B10R0.4 CCCCCCCOC(=O)Cl Amb19886548 [2,0,0,0,0,0|2,0,0]=4 212 B10R0.4 CCCCCC\C=C\B(O)O Amb2456043 [2,0,0,0,0,0|1,0,1]=4 213 B10R0.4 CCCCCC\C=C\C(C)=C Amb22546604 [2,0,0,0,0,0|2,0,0]=4 214 B10R0.4 CCCCCC\C=C\C(C)=O Amb22052629 [2,0,0,0,0,0|1,0,0]=3 215 B10R0.4 CCCCCC\C=C\C(C)O Amb22641689 [2,0,0,0,0,0|1,0,1]=4 216 B10R0.4 CCCCC\C=C\CC(=O)O Amb17593915 [2,0,0,0,0,0|0,0,2]=4 217 B10R0.4 CCOCCCCCC(O)=O Amb22234334 [2,0,0,0,0,0|1,0,0]=3 218 B10R0.4 CNCCOCCCC(O)=O Amb18106300 [2,0,0,0,0,0|2,0,0]=4 219 B10R0.4 COCCCOCCC(O)=O Amb18180046 [2,0,0,0,0,0|2,0,0]=4 220 B10R0.4 NCCCCCCCC(=O)O Amb1994908 [2,0,0,0,0,0|1,0,0]=3 221 B10R0.4 NCCCCCCCC(O)=O Amb19929586 [2,0,0,0,0,0|1,0,0]=3 222 B10R0.4 NCCCCCCNC(O)=O Amb22494605 [2,0,0,0,0,0|2,0,0]=4 223 B10R0.4 NCCCOCCCC(O)=O Amb18111568 [2,0,0,0,0,0|2,0,0]=4 224 B10R0.4 NCCCSCCCC(=O)O Amb17500719 [2,0,0,0,0,0|2,0,0]=4 225 B10R0.4 OC(=O)CCCCCCCS Amb22353760 [2,0,0,0,0,0|1,0,0]=3 226 B10R0.4 OCCCSCCCC(=O)O Amb17502860 [2,0,0,0,0,0|2,0,0]=4 227 B10R0.4 [O-]C(=O)CCCCCCCBr Amb22015198 [2,0,0,0,0,0|1,0,1]=4 228 B12R0.1 CCCCCCCCC(=O)NCO Amb22043215 [1,1,0,0,0,0|1,0,1]=4 229 B12R0.1 CCCCCCCCC(=O)OC=C Amb17672563 [1,1,0,0,0,0|2,0,0]=4 230 B12R0.1 C\C=C\C(=O)OCCCCCCC Amb22730254 [1,1,0,0,0,0|2,0,0]=4 231 B12R0.5 CCCCCCCCCC\C=C\Cl Amb22731233 [1,1,0,0,0,0|1,0,1]=4 232 B12R0.5 CCCCCCCCC\C=C\C=O Amb22351858 [1,1,0,0,0,0|0,0,0]=2 233 B12R0.5 CCCCCCCCC\C=C\CO Amb22350397 [1,1,0,0,0,0|0,0,1]=3 234 B12R0.5 CCCCCCCC\C=C\CC=O Amb22735030 [1,1,0,0,0,0|0,0,0]=2 235 B12R0.5 CCCCCCC\C=C\C=C\C=O Amb22045171 [1,1,0,0,0,0|0,0,1]=3 236 B12R0.5 CCCCC\C=C/CC\C=C\C=O Amb22348277 [1,1,0,0,0,0|0,0,1]=3 237 B12R0.5 CC\C=C\CCCCCCCCO Amb22731394 [1,1,0,0,0,0|1,0,1]=4 238 B12R0.5 C\C=C\CCCCCCCCCO Amb22731398 [1,1,0,0,0,0|1,0,1]=4 239 B12R0.248 CCCCCCCCC\C(\N)=N\O Amb19046143 [1,1,0,0,0,0|1,0,1]=4 240 B12R0.4 CCCCCCCC(=O)CC(O)=O Amb24273367 [1,1,0,0,0,0|0,0,1]=3 241 B12R0.4 CCCCCCCC(C)OC(C)=O Amb22734609 [1,1,0,0,0,0|2,0,0]=4 242 B12R0.4 CCCCCCCC(O)CC(O)=O Amb19071697 [1,1,0,0,0,0|0,0,1]=3 243 B12R0.119 CCCCCCCCCP(O)(O)=O Amb22388781 [1,1,0,0,0,0|1,0,1]=4 244 B12R0.233 CCCCCC(C)CCCC(O)=O Amb24062978 [1,1,0,0,0,0|0,0,1]=3 245 B12R0.233 CCCCCC(O)CCCC([O-])=O Amb22352105 [1,1,0,0,0,0|0,0,2]=4 246 B12R0.251 CCCCCCCCC(=C(F)F)F Amb10840896 [1,1,0,0,0,0|2,0,0]=4 247 B12R0.251 CCCCCCCCC(Br)C(O)=O Amb22347926 [1,1,0,0,0,0|0,0,1]=3 248 B12R0.251 CCCCCCCCC(C)C(O)=O Amb19058533 [1,1,0,0,0,0|0,0,1]=3 249 B12R0.251 CCCCCCCCN(C)C(C)=O Amb24096791 [1,1,0,0,0,0|2,0,0]=4 250 B12R0.251 CCCCCCCC[C@@H](N)C(O)=O Amb22745440 [1,1,0,0,0,0|0,0,1]=3 251 B12R0.251 CCCCCCCOC(C(=O)O)C Amb2445106 [1,1,0,0,0,0|1,0,1]=4 252 B12R0.251 CCCCCCSC[C@H](N)C(O)=O Amb22451174 [1,1,0,0,0,0|1,0,1]=4 253 B12R0.255 CCCCCCC(Br)CCC(N)=O Amb24065437 [1,1,0,0,0,0|1,0,1]=4 254 B12R0.255 CCCCCCC(O)CCC(O)=O Amb19071689 [1,1,0,0,0,0|0,0,1]=3 255 B12R0.255 CCCCCCC(O)CCC([O-])=O Amb19149307 [1,1,0,0,0,0|0,0,2]=4 256 B12R0.268 CC(C)CCCCCCCC(O)=O Amb24117911 [1,1,0,0,0,0|0,0,1]=3 257 B14R0.68 CC(C)CCCCCCCCCC(O)=O Amb21928797 [0,2,0,0,0,0|0,0,2]=4 258 B14R0.305 CCC(C)CCCCCCCCC(O)=O Amb21928795 [0,2,0,0,0,0|0,0,2]=4 259 B14R0.305 COC(=O)CCCCCCCCC(C)C Amb21928867 [0,2,0,0,0,0|0,0,2]=4 260 B14R0.337 COC(=O)CCCCCCCCCCCl Amb22522963 [0,2,0,0,0,0|0,0,2]=4 261 B14R0.337 COC(=O)CCCCCCCCCCN Amb23575681 [0,2,0,0,0,0|0,0,2]=4 262 B14R0.340 CCCCCCCCCCC(N)C(O)=O Amb21858489 [0,2,0,0,0,0|0,0,2]=4 263 B14R0.340 CCCCCCCCCC[C@@H](N)C(O)=O Amb22745407 [0,2,0,0,0,0|0,0,2]=4 264 B14R0.344 CCCCCCCCC(C)CCC(O)=O Amb22347578 [0,2,0,0,0,0|0,0,2]=4 265 B14R0.344 CCCCCCCCC(O)C#CC(O)=O Amb17779806 [0,2,0,0,0,0|0,0,2]=4 266 B14R0.344 CCCCCCCCS(=O)CCC(=O)O Amb1038995 [0,2,0,0,0,0|0,0,2]=4 267 B14R0.344 CCCCCCCNC(=O)/C=C/C(O)=O Amb17798571 [0,2,0,0,0,0|0,0,1]=3 268 B14R0.344 CCCCCCCNC(=O)CCC(=O)O Amb1771111 [0,2,0,0,0,0|1,0,1]=4 269 B14R0.391 CC(=O)CC(=O)NCCCCCCCC Amb22359801 [0,2,0,0,0,0|1,0,1]=4 270 B14R0.391 CCCCCCCCCC(O)CC(O)=O Amb21928747 [0,2,0,0,0,0|0,0,2]=4 271 B14R0.391 CCCCCCC\C=C\C(O)CC(O)=O Amb22831937 [0,2,0,0,0,0|0,0,2]=4 272 B14R0.394 C#CCCCCCCCCCCC(=O)O Amb1396957 [0,2,0,0,0,0|0,0,2]=4 273 B14R0.394 CCCCCCCCCC\C=C\C(O)=O Amb22734282 [0,2,0,0,0,0|0,0,0]=2 274 B14R0.394 OC(=O)CCCCCCCCCCCS Amb22350627 [0,2,0,0,0,0|0,0,2]=4 275 B14R0.82 CCCCCCCCC(O)CC(=O)OC Amb21928846 [0,2,0,0,0,0|0,0,2]=4 276 B14R0.181 CCCCCCCC\C=C(/C(=O)NC)\C Amb10559933 [0,2,0,0,0,0|1,0,0]=3 277 B14R0.197 CCC(C)CCCCCCCC(=O)OC Amb21928866 [0,2,0,0,0,0|0,0,2]=4 278 B14R0.393 CCOC(=O)C#CCCCCCCCC Amb22729218 [0,2,0,0,0,0|0,0,2]=4 279 B14R0.92 C\C(=C/C(C)CCCCCCC)\C(O)=O Amb20246327 [0,2,0,0,0,0|0,0,0]=2 280 B14R0.534 CCC(O)CCCCCCC(O)C(O)=O Amb22483586 [0,2,0,0,0,0|0,0,2]=4 281 B12R1.8 O=CC#CCCC1CCCCC1 Amb24370141 [1,0,0,1,0,0|0,0,2]=4 282 B12R1.8 O=C\C=C\C=C/C1CCCCC1 Amb25294479 [1,0,0,1,0,0|0,0,2]=4 283 B12R1.8 O=C\C=C\C=C\C1CCCCC1 Amb18646132 [1,0,0,1,0,0|0,0,2]=4 284 B12R1.18 C=C\C=C\[C@@H]1CCCCC[C@@H]1O Amb25257167 [1,0,0,1,0,0|2,0,0]=4 285 B12R1.18 CCCCC1CCCCCC1=O Amb18799266 [1,0,0,1,0,0|0,0,2]=4 286 B12R1.18 OCCCN1CCCC=CC1=O Amb25847788 [1,0,0,1,0,0|2,0,0]=4 287 B12R1.37 CCCCCCCc1ccc[s]1 Amb24089104 [1,0,0,1,0,0|0,1,1]=4 288 B12R1.37 CCCCCCCc1ccco1 Amb10070289 [1,0,0,1,0,0|0,0,1]=3 289 B12R1.52 CCCC1CCCCCCC1=O Amb25050208 [1,0,0,1,0,0|0,0,2]=4 290 B12R1.121 C=C\C=C\[C@@H]1CCCC[C@@H]1CO Amb24752248 [1,0,0,1,0,0|2,0,0]=4 291 B12R1.121 CCC1CCCCC1\C=C\CCl Amb24569363 [1,0,0,1,0,0|1,0,1]=4 292 B12R1.121 CCC1CCCCC1\C=C\CN Amb24593031 [1,0,0,1,0,0|1,0,1]=4 293 B12R1.150 CC1CCCCCCC=CC1=O Amb24582545 [1,0,0,1,0,0|0,0,0]=2 294 B12R1.150 CC1CCCCCCCCC1=O Amb24645477 [1,0,0,1,0,0|0,0,2]=4 295 B12R1.150 C[C@H]1CCCCCCCCC1=O Amb24456546 [1,0,0,1,0,0|0,0,2]=4 296 B12R1.173 O=CCN1CCCCCCCC1 Amb25840505 [1,0,0,1,0,0|1,0,1]=4 297 B12R1.215 O=C1CC=CCCCCCCC1 Amb25112664 [1,0,0,1,0,0|0,0,2]=4 298 B12R1.215 O=C1CCCCCCCCC#C1 Amb25706996 [1,0,0,1,0,0|0,0,2]=4 299 B12R1.215 O=C1CCCCCCCCCO1 Amb22732305 [1,0,0,1,0,0|1,0,1]=4 300 B12R1.267 CCCCCC1CCCCC1=O Amb18788895 [1,0,0,1,0,0|0,0,2]=4 301 B12R1.267 C\C=C\CCC1CCC=CC1=O Amb25807642 [1,0,0,1,0,0|0,0,2]=4 302 B12R1.281 CCC1CCCCCN1CC=O Amb25693680 [1,0,0,1,0,0|1,0,1]=4 303 B12R1.329 BrC\C=C\C1CCCCCCC1 Amb25357932 [1,0,0,1,0,0|1,0,1]=4 304 B12R1.329 NC\C=C\C1CCCCCCC1 Amb25306737 [1,0,0,1,0,0|1,0,1]=4 305 B12R1.372 CCCCCCC1CCOC1=O Amb22230226 [1,0,0,1,0,0|1,0,1]=4 306 B12R1.410 ON=C1CCCCCCCCC1 Amb17671029 [1,0,0,1,0,0|1,0,1]=4 307 B12R1.410 ON=C1CCCCCCCCN1 Amb25217575 [1,0,0,1,0,0|2,0,0]=4 308 B12R1.1414 O=CNCCC1CCCCCC1 Amb24692921 [1,0,0,1,0,0|1,0,1]=4 309 B12R1.1414 O=C\C=C\CC1CCCCCC1 Amb24405967 [1,0,0,1,0,0|0,0,0]=2 310 B12R1.7 CCCCCC[C@@H]1CCC(=O)O1 Amb18511855 [1,0,0,1,0,0|0,0,1]=3 311 B12R1.28 CCCCCC1=CC=CC(=O)O1 Amb19668103 [1,0,0,1,0,0|0,0,2]=4 312 B12R1.75 CCC1CCCCC1=CC(O)=O Amb25152411 [1,0,0,1,0,0|0,0,0]=2 313 B12R1.75 CCC1CCCCC1CC(O)=O Amb25152261 [1,0,0,1,0,0|0,0,1]=3 314 B12R1.75 CCC1CCCCC1NC(N)=O Amb18801890 [1,0,0,1,0,0|2,0,0]=4 315 B12R1.75 CCC1NCCCC1CC(O)=O Amb24753781 [1,0,0,1,0,0|1,0,1]=4 316 B12R1.75 CCN1CCCCC1CC(O)=O Amb18979527 [1,0,0,1,0,0|1,0,1]=4 317 B12R1.75 CC[C@@H]1NCCC[C@H]1CC(O)=O Amb18198537 [1,0,0,1,0,0|1,0,1]=4 318 B12R1.75 COC1CCCCC1=CC(O)=O Amb25281532 [1,0,0,1,0,0|1,0,0]=3 319 B12R1.75 COC1CCCCC1CC(O)=O Amb18647650 [1,0,0,1,0,0|1,0,1]=4 320 B12R1.75 CO[C@H]1CCCC[C@@H]1CC(O)=O Amb24710034 [1,0,0,1,0,0|1,0,1]=4 321 B12R1.75 NCC1CCCCC1CC(=O)O Amb10843836 [1,0,0,1,0,0|1,0,1]=4 322 B12R1.81 CCC1CCCN1\C=C\C(O)=O Amb25828616 [1,0,0,1,0,0|1,0,0]=3 323 B12R1.125 CC(=O)\C=C\C1CCCCC1O Amb25674181 [1,0,0,1,0,0|2,0,0]=4 324 B12R1.125 CC1CCCCC1CCC(C)=O Amb25730309 [1,0,0,1,0,0|1,0,1]=4 325 B12R1.125 CC1CCCCC1CCC(O)=O Amb18647427 [1,0,0,1,0,0|0,0,1]=3 326 B12R1.125 CC1CCCCC1CNC(C)=O Amb25294550 [1,0,0,1,0,0|2,0,0]=4 327 B12R1.125 CC1CCCCC1CNC(N)=O Amb18793749 [1,0,0,1,0,0|2,0,0]=4 328 B12R1.125 CC1CCCCC1\C=C\C(O)=O Amb24546661 [1,0,0,1,0,0|0,0,0]=2 329 B12R1.125 CC1CCCCN1CCC(O)=O Amb21953915 [1,0,0,1,0,0|1,0,1]=4 330 B12R1.125 CC=1CCCCC1C=CC(O)=O Amb25210813 [1,0,0,1,0,0|0,0,2]=4 331 B12R1.125 CC=1CCCCC1\C=C\C(O)=O Amb24711281 [1,0,0,1,0,0|0,0,2]=4 332 B12R1.125 C[C@H]1CCCC[C@@H]1CCC(C)=O Amb24689550 [1,0,0,1,0,0|1,0,1]=4 333 B12R1.125 N[C@H]1CCCC[C@@H]1CCC(O)=O Amb25302248 [1,0,0,1,0,0|1,0,1]=4 334 B12R1.125 N[C@H]1CCCC[C@H]1CCC(O)=O Amb25295431 [1,0,0,1,0,0|1,0,1]=4 335 B12R1.125 OC(=O)CCC1CCCCN1C Amb10607785 [1,0,0,1,0,0|1,0,1]=4 336 B12R1.125 OC(=O)CCC1CCCCN1C Amb13949149 [1,0,0,1,0,0|1,0,1]=4 337 B12R1.125 OC(=O)CSC1CCCCC1C Amb17594900 [1,0,0,1,0,0|1,0,1]=4 338 B12R1.125 O[C@H]1CCCC[C@@H]1CCC(O)=O Amb25179269 [1,0,0,1,0,0|1,0,1]=4 339 B12R1.130 CC1CCCN1C\C=C\C(O)=O Amb18296455 [1,0,0,1,0,0|1,0,0]=3 340 B12R1.130 CC1OCCC1N\C=C\C(O)=O Amb25353076 [1,0,0,1,0,0|2,0,0]=4 341 B12R1.130 OC(=O)\C=C\CC1CCCC1=O Amb25772855 [1,0,0,1,0,0|1,0,1]=4 342 B12R1.141 CC1CC(=O)CCCCCCC1 Amb25373271 [1,0,0,1,0,0|1,0,1]=4 343 B12R1.170 CCCC1CCCCCC(=O)N1 Amb25035234 [1,0,0,1,0,0|1,0,1]=4 344 B12R1.210 CC1CCCCCC1NC(N)=O Amb24483653 [1,0,0,1,0,0|2,0,0]=4 345 B12R1.210 CC1CCCCCN1CC(O)=O Amb25247054 [1,0,0,1,0,0|1,0,1]=4 346 B12R1.210 C[C@@H]1NCCCC[C@H]1CC(O)=O Amb18198536 [1,0,0,1,0,0|1,0,1]=4 347 B12R1.210 OC1CCCCCC1CC(O)=O Amb18198284 [1,0,0,1,0,0|1,0,1]=4 348 B12R1.212 CN1CCCCCCC1C(O)=O Amb25816705 [1,0,0,1,0,0|1,0,1]=4 349 B12R1.212 NC1CCCCCCC1C(O)=O Amb20667806 [1,0,0,1,0,0|1,0,1]=4 350 B12R1.212 NC1CCCCCCC1C(O)=O Amb22059713 [1,0,0,1,0,0|1,0,1]=4 351 B12R1.212 NC=1CCCCCCC1C(O)=O Amb24722108 [1,0,0,1,0,0|1,0,1]=4 352 B12R1.212 N[C@H]1CCCCCC[C@@H]1C(O)=O Amb25245343 [1,0,0,1,0,0|1,0,1]=4 353 B12R1.212 OC(=O)C=1CCCCCCC1Cl Amb24650994 [1,0,0,1,0,0|1,0,1]=4 354 B12R1.212 OC(=O)[C@@H]1CCCCCC[C@@H]1N Amb1993854 [1,0,0,1,0,0|1,0,1]=4 355 B12R1.212 OC(=O)[C@H]1CCCCCC[C@H]1N Amb1993853 [1,0,0,1,0,0|1,0,1]=4 356 B12R1.212 O[C@@H]1CCCCCC[C@@H]1C(O)=O Amb24692827 [1,0,0,1,0,0|1,0,1]=4 357 B12R1.212 O[C@H]1CCCCCC[C@H]1C(O)=O Amb24739651 [1,0,0,1,0,0|1,0,1]=4 358 B12R1.252 CC(=O)OCCC1CCCCC1 Amb22336360 [1,0,0,1,0,0|2,0,0]=4 359 B12R1.252 CC(=O)\C=C/NC1CCCCC1 Amb24341845 [1,0,0,1,0,0|2,0,0]=4 360 B12R1.252 CC(=O)\C=C\CC1CCCCC1 Amb24424879 [1,0,0,1,0,0|1,0,0]=3 361 B12R1.252 CC(=O)\C=C\CC1CCCCO1 Amb24715928 [1,0,0,1,0,0|2,0,0]=4 362 B12R1.252 NC(=O)NCCC1CCCCC1 Amb18801889 [1,0,0,1,0,0|2,0,0]=4 363 B12R1.252 OB(O)\C=C\CC1CCCCC1 Amb25757875 [1,0,0,1,0,0|1,0,1]=4 364 B12R1.252 OC(=O)CCCC1CCCCC1 Amb22360661 [1,0,0,1,0,0|0,0,1]=3 365 B12R1.252 OC(=O)CCCC1CCCCN1 Amb1101084 [1,0,0,1,0,0|1,0,1]=4 366 B12R1.252 OC(=O)CCCC1CCCCN1 Amb22284114 [1,0,0,1,0,0|1,0,1]=4 367 B12R1.252 OC(=O)CCCC1CCNCC1 Amb1101085 [1,0,0,1,0,0|1,0,1]=4 368 B12R1.252 OC(=O)\C=C/SC1CCCCC1 Amb24571677 [1,0,0,1,0,0|1,0,0]=3 369 B12R1.252 OC(=O)\C=C\C=C1CCCCC1 Amb18646569 [1,0,0,1,0,0|0,0,2]=4 370 B12R1.252 OC(=O)\C=C\CC1CCNCC1 Amb24677696 [1,0,0,1,0,0|1,0,0]=3 371 B12R1.252 OC(=O)\C=C\CN1CCCCC1 Amb18988789 [1,0,0,1,0,0|1,0,0]=3 372 B12R1.252 OC(=O)\C=C\CN1CCNCC1 Amb18990081 [1,0,0,1,0,0|2,0,0]=4 373 B12R1.252 OC(=O)\C=C\CN1CCOCC1 Amb18296130 [1,0,0,1,0,0|2,0,0]=4 374 B12R1.252 OC(=O)\C=C\CN1CCSCC1 Amb18296451 [1,0,0,1,0,0|2,0,0]=4 375 B12R1.252 OC(=O)\C=C\NC1CCCCC1 Amb24658894 [1,0,0,1,0,0|1,0,0]=3 376 B12R1.252 OC(=O)\C=C\NC1COCCC1 Amb25159785 [1,0,0,1,0,0|2,0,0]=4 377 B12R1.252 OC(=O)\C=C\OC1CCCCC1 Amb18647362 [1,0,0,1,0,0|1,0,0]=3 378 B12R1.252 OC(=O)\C=C\OC1CCCCO1 Amb24417321 [1,0,0,1,0,0|2,0,0]=4 379 B12R1.252 OC(=O)\C=C\SC1CCCCC1 Amb25693595 [1,0,0,1,0,0|1,0,0]=3 380 B12R1.252 [O-]C(=O)CCCC1CCCCC1 Amb10601869 [1,0,0,1,0,0|0,0,2]=4 381 B12R1.252 [O-]C(=O)CCCC1CCCCC1 Amb22053703 [1,0,0,1,0,0|0,0,2]=4 382 B12R1.255 OC(=O)C#CCCC1CCCC1 Amb25089799 [1,0,0,1,0,0|0,0,2]=4 383 B12R1.255 OC(=O)CCCCN1CCCC1 Amb10610408 [1,0,0,1,0,0|1,0,1]=4 384 B12R1.255 OC(=O)CCCNC1CCCC1 Amb1110062 [1,0,0,1,0,0|1,0,1]=4 385 B12R1.255 OC(=O)\C=C\NCC1CCCC1 Amb25805743 [1,0,0,1,0,0|1,0,0]=3 386 B12R1.255 OC(=O)\C=C\NCC1CCCS1 Amb25329944 [1,0,0,1,0,0|2,0,0]=4 387 B12R1.283 CCCC1CCCCN1C(C)=O Amb25758684 [1,0,0,1,0,0|2,0,0]=4 388 B12R1.283 CCCC1OCCCC1C(=O)O Amb10609660 [1,0,0,1,0,0|1,0,1]=4 389 B12R1.283 CCCN1CCCCC1C(=O)O Amb10609773 [1,0,0,1,0,0|1,0,1]=4 390 B12R1.283 CCCN1CCCCC1C(=O)O Amb1110568 [1,0,0,1,0,0|1,0,1]=4 391 B12R1.283 CCC[C@H]1CCCCN1C(C)=O Amb25707921 [1,0,0,1,0,0|2,0,0]=4 392 B12R1.283 CCNC1CCCCC1C(O)=O Amb24426291 [1,0,0,1,0,0|1,0,1]=4 393 B12R1.283 CCN[C@@H]1CCCC[C@@H]1C(O)=O Amb24512176 [1,0,0,1,0,0|1,0,1]=4 394 B12R1.283 CCSC1CCCCC1C(O)=O Amb18303075 [1,0,0,1,0,0|1,0,1]=4 395 B12R1.283 CNCC1CCCCC1C(O)=O Amb24436013 [1,0,0,1,0,0|1,0,1]=4 396 B12R1.283 OC(=O)C1CCCCC1CCF Amb25202422 [1,0,0,1,0,0|1,0,1]=4 397 B12R1.283 OC(=O)N1CCCCC1CCCl Amb24089605 [1,0,0,1,0,0|2,0,0]=4 398 B12R1.321 CCCCC1CC(=O)C=CCC1 Amb25273116 [1,0,0,1,0,0|1,0,0]=3 399 B12R1.321 CCCCC1CC(=O)NCCC1 Amb25785211 [1,0,0,1,0,0|2,0,0]=4 400 B12R1.321 CCCCC1CCCCC(=O)O1 Amb22230135 [1,0,0,1,0,0|0,0,1]=3 401 B12R1.321 CCCC[C@@H]1CC(=O)CCCC1 Amb24584524 [1,0,0,1,0,0|1,0,1]=4 402 B12R1.405 CCC1CCCCCC1C(O)=O Amb25336577 [1,0,0,1,0,0|0,0,1]=3 403 B12R1.405 CCC1CCCCCN1C(=O)Cl Amb24454511 [1,0,0,1,0,0|2,0,0]=4 404 B12R1.405 CCC1CCCCCN1C(C)=O Amb25035126 [1,0,0,1,0,0|2,0,0]=4 405 B12R1.405 CCN1CCCCCC1C(O)=O Amb23585538 [1,0,0,1,0,0|1,0,1]=4 406 B12R1.405 CC[C@@H]1CCCCC[C@@H]1C(C)=O Amb25373139 [1,0,0,1,0,0|1,0,1]=4 407 B12R1.405 CC[C@@H]1NCCCC[C@H]1C(O)=O Amb18198539 [1,0,0,1,0,0|1,0,1]=4 408 B12R1.405 COC1CCCCC=C1C(O)=O Amb25101634 [1,0,0,1,0,0|1,0,0]=3 409 B12R1.405 CO[C@@H]1CCCCC[C@@H]1C(O)=O Amb25361094 [1,0,0,1,0,0|1,0,1]=4 410 B12R1.405 CO[C@@H]1CCCCC[C@H]1C(O)=O Amb24656000 [1,0,0,1,0,0|1,0,1]=4 411 B12R1.405 CSC1CCCCCC1C(O)=O Amb18967402 [1,0,0,1,0,0|1,0,1]=4 412 B12R1.405 OCC1CCCCCC1C(O)=O Amb25799614 [1,0,0,1,0,0|1,0,1]=4 413 B12R1.1335 CC(=O)N1CCCCCCCC1 Amb25169087 [1,0,0,1,0,0|2,0,0]=4 414 B12R1.1335 NC(=O)C1CCCCCCCC1 Amb25685314 [1,0,0,1,0,0|1,0,1]=4 415 B12R1.1335 NC(=O)N1CCCCCCCC1 Amb25087978 [1,0,0,1,0,0|2,0,0]=4 416 B12R1.1335 OC(=O)C1CCCCCCCC1 Amb25034740 [1,0,0,1,0,0|0,0,1]=3 417 B12R1.1343 CC(=O)\C=C\N1CCCCCC1 Amb22524689 [1,0,0,1,0,0|2,0,0]=4 418 B12R1.1343 CC(O)\C=C\C1CCCCCC1 Amb25296665 [1,0,0,1,0,0|1,0,1]=4 419 B12R1.1343 NC(=O)CCC1CCCCCC1 Amb25061418 [1,0,0,1,0,0|1,0,1]=4 420 B12R1.1343 NC(=O)\C=C/C1CCCCCC1 Amb25076691 [1,0,0,1,0,0|1,0,0]=3 421 B12R1.1343 OC(=O)C#CC1CCCCCC1 Amb24556561 [1,0,0,1,0,0|0,0,2]=4 422 B12R1.1343 OC(=O)CCC1CCCCCC1 Amb18825578 [1,0,0,1,0,0|0,0,1]=3 423 B12R1.1343 OC(=O)CCC1CCCCCN1 Amb18198528 [1,0,0,1,0,0|1,0,1]=4 424 B12R1.1343 OC(=O)CCC1CCCNCC1 Amb18198557 [1,0,0,1,0,0|1,0,1]=4 425 B12R1.1343 OC(=O)CCC1CCCOCC1 Amb18825358 [1,0,0,1,0,0|1,0,1]=4 426 B12R1.1343 OC(=O)CCC1CCCSCC1 Amb18820668 [1,0,0,1,0,0|1,0,1]=4 427 B12R1.1343 OC(=O)COC1CCCCCC1 Amb18972071 [1,0,0,1,0,0|1,0,1]=4 428 B12R1.1343 OC(=O)CSC1CCCCCC1 Amb24493198 [1,0,0,1,0,0|1,0,1]=4 429 B12R1.1343 OC(=O)\C=C\C1CCCCCC1 Amb24715822 [1,0,0,1,0,0|0,0,0]=2 430 B12R1.1343 OC(=O)\C=C\N1CCCNCC1 Amb25803697 [1,0,0,1,0,0|2,0,0]=4 431 B12R1.1343 OC(=O)\C=C\N1CCCOCC1 Amb24663288 [1,0,0,1,0,0|2,0,0]=4 432 B12R1.1392 BrC(Br)=CC1CCCCCCC1 Amb24494606 [1,0,0,1,0,0|2,0,0]=4 433 B12R1.1392 NC(=O)CC1CCCCCCC1 Amb25798922 [1,0,0,1,0,0|1,0,1]=4 434 B12R1.1392 OC(=O)CC=1CCCCCCC1 Amb25751340 [1,0,0,1,0,0|0,0,2]=4 435 B14R1.37 Cc1ccc(o1)C(N)CCCCCC Amb23443590 [0,1,0,1,0,0|1,0,1]=4 436 B14R1.333 CC1CCCCCCC1=NNC(N)=O Amb25815063 [0,1,0,1,0,0|2,0,0]=4 437 B14R1.333 OC1CCCCCCC1CCC(O)=O Amb24378159 [0,1,0,1,0,0|0,0,2]=4 438 B14R1.420 CC(N\C=C\C(O)=O)C1COCCC1 Amb25184619 [0,1,0,1,0,0|2,0,0]=4 439 B14R1.420 C[C@@H](N\C=C\C(O)=O)C1CCCCC1 Amb25193081 [0,1,0,1,0,0|1,0,0]=3 440 B14R1.420 C[C@H](N\C=C\C(O)=O)C1CCCCC1 Amb25169851 [0,1,0,1,0,0|1,0,0]=3 441 B14R1.420 C\C(=C\C=CC(O)=O)\C1CCCCC1 Amb24368182 [0,1,0,1,0,0|0,0,2]=4 442 B14R1.1454 NC(=O)NN=CC1CCCCCCC1 Amb25818746 [0,1,0,1,0,0|2,0,0]=4 443 B14R1.1454 OC(=O)\C=C/C=C1CCCCCCC1 Amb24366049 [0,1,0,1,0,0|0,0,1]=3 444 B14R1.1454 OC(=O)\C=C\CN1CCCCCCC1 Amb18296450 [0,1,0,1,0,0|0,0,0]=2 445 B14R1.1454 OC(=O)\C=C\NC1CCCCCCC1 Amb24658938 [0,1,0,1,0,0|0,0,0]=2 446 B14R1.4456 CC1CCCCC1(C)N\C=C\C(O)=O Amb25053506 [0,1,0,1,0,0|1,0,0]=3 447 B14R1.4456 CC1CCCCC1(O)C\C=C\C(O)=O Amb18130516 [0,1,0,1,0,0|0,0,0]=2 448 B14R1.4456 C[C@H]1CCCC[C@@]1(O)C\C=C\C(O)=O Amb25233395 [0,1,0,1,0,0|0,0,0]=2 449 B14R1.4795 CC1CCCCC(C)C1=CCC(O)=O Amb25685342 [0,1,0,1,0,0|0,0,2]=4 450 B14R1.4898 CC1CN(C\C=C\C(O)=O)CCCO1 Amb19000981 [0,1,0,1,0,0|2,0,0]=4 451 B14R1.4898 CC1COCCN(C\C=C\C(O)=O)C1 Amb25200671 [0,1,0,1,0,0|2,0,0]=4 452 B14R1.20828 OC(=O)\C=C\CC1(O)CCCCCC1 Amb25858119 [0,1,0,1,0,0|0,0,0]=2 453 B14R1.96 CCC/1CCCC\C1=C/C=CC(O)=O Amb24702831 [0,1,0,1,0,0|0,0,1]=3 454 B14R1.96 CCC1CCCCC1N\C=C\C(O)=O Amb24730088 [0,1,0,1,0,0|0,0,0]=2 455 B14R1.96 CSC1CCCCC1N\C=C\C(O)=O Amb24500527 [0,1,0,1,0,0|1,0,0]=3 456 B14R1.96 OCC1CCCCC1N\C=C\C(O)=O Amb25230806 [0,1,0,1,0,0|1,0,0]=3 457 B14R1.122 CCCCCCCCC1CCC(=O)O1 Amb10071536 [0,1,0,1,0,0|0,0,2]=4 458 B14R1.122 CCCCCCCC[n]1ccc(N)[n]1 Amb19052808 [0,1,0,1,0,0|2,0,0]=4 459 B14R1.122 CCCCCCCCc1ccc(Br)[s]1 Amb24323645 [0,1,0,1,0,0|1,1,0]=4 460 B14R1.233 CCCCCCn1nncc1C(=O)O Amb17535760 [0,1,0,1,0,0|2,0,0]=4 461 B14R1.329 OC(=O)\C=C\CN1CCCCCC1=O Amb18988772 [0,1,0,1,0,0|1,0,1]=4 462 B14R1.422 OC(=O)CCCCCC1CCCCC1 Amb22230076 [0,1,0,1,0,0|0,0,2]=4 463 B14R1.422 OC(=O)CNCCCN1CCCCC1 Amb20152206 [0,1,0,1,0,0|1,0,1]=4 464 B14R1.786 CCCCN1CCCCC1CC(O)=O Amb19056735 [0,1,0,1,0,0|0,0,2]=4 465 B14R1.4408 O=C1C=CCCCCCCCCCN1 Amb24404897 [0,1,0,1,0,0|1,0,0]=3 466 B14R1.4408 O=C1CCCCCCCCCCC=C1 Amb25793577 [0,1,0,1,0,0|1,0,0]=3 467 B14R1.4408 O=C1OCCCCCCCCCCO1 Amb24459843 [0,1,0,1,0,0|0,0,2]=4 468 B14R1.4408 OC1CC=CCCCCCCCCC1 Amb25369341 [0,1,0,1,0,0|1,0,1]=4 469 B14R1.4408 OC1CCCCCCCCCCC=C1 Amb25855851 [0,1,0,1,0,0|1,0,1]=4 470 B14R1.4408 O[C@H]1CCCCCCCCCCC=C1 Amb25098681 [0,1,0,1,0,0|1,0,1]=4 471 B14R1.4728 CCCCCCCCC1CC1C(=O)O Amb1033024 [0,1,0,1,0,0|0,0,2]=4 472 B14R1.4961 CC(=O)OC1=CCCCCCCC1Cl Amb24579444 [0,1,0,1,0,0|2,0,0]=4 473 B14R1.5254 CCCN1CCCCCCC1C(O)=O Amb25354108 [0,1,0,1,0,0|0,0,2]=4 474 B14R1.6335 NC(=O)NN=C1CCCCCCCC1 Amb24521761 [0,1,0,1,0,0|2,0,0]=4 475 B14R1.6335 OC(=O)CCN1CCCCCCCC1 Amb25298722 [0,1,0,1,0,0|0,0,2]=4 476 B14R1.6343 OC(=O)CNCCN1CCCCCC1 Amb20573254 [0,1,0,1,0,0|1,0,1]=4 477 B14R1.6343 OC(=O)CSCCN1CCCCCC1 Amb21988835 [0,1,0,1,0,0|1,0,1]=4 478 B14R1.6343 OC(=O)\C=C\C=CC1CCCCCC1 Amb24368981 [0,1,0,1,0,0|0,0,1]=3 479 B14R1.6414 OC(=O)C1CC=CCCCCCCC1 Amb24498139 [0,1,0,1,0,0|0,0,2]=4 480 B14R1.6444 OC(=O)CC1CCCCCCCCC1 Amb25125214 [0,1,0,1,0,0|0,0,2]=4 481 B14R1.6444 OC(=O)CC=1CCCCCCCCC1 Amb24498388 [0,1,0,1,0,0|0,0,0]=2 482 B14R1.148 CC1CC(CCC1)\C=C\C=CC(O)=O Amb24445610 [0,1,0,1,0,0|0,0,2]=4 483 B14R1.148 CC1CC(CN\C=C\C(O)=O)CCC1 Amb25849540 [0,1,0,1,0,0|1,0,0]=3 484 B14R1.148 CN1CC(CN\C=C\C(O)=O)CCC1 Amb24717519 [0,1,0,1,0,0|2,0,0]=4 485 B14R1.148 OC1CCCC(C1)CN\C=C\C(O)=O Amb25315710 [0,1,0,1,0,0|1,0,0]=3 486 B14R1.4464 CC1CC(C)N(C\C=C\C(O)=O)CC1 Amb18296465 [0,1,0,1,0,0|1,0,0]=3 487 B14R1.4464 CC1CC\C(=C\C=CC(O)=O)\C(C)C1 Amb25056147 [0,1,0,1,0,0|0,0,2]=4 488 B14R1.4917 CC1CCCC(CC1)N\C=C\C(O)=O Amb24353738 [0,1,0,1,0,0|1,0,0]=3 489 B14R1.4917 CC1CCN(C\C=C\C(O)=O)CCS1 Amb25336717 [0,1,0,1,0,0|2,0,0]=4 490 B14R1.4917 CN1CCCN(C\C=C\C(O)=O)CC1 Amb18296449 [0,1,0,1,0,0|2,0,0]=4 491 B14R1.5842 CN1CCCC=C(CCCC1)C(N)=O Amb25269454 [0,1,0,1,0,0|2,0,0]=4 492 B14R1.6072 CC1CCC(O)CN1C\C=C\C(O)=O Amb24581097 [0,1,0,1,0,0|1,0,0]=3 493 B14R1.6072 CC1CN(C\C=C\C(O)=O)C(C)CC1 Amb25698539 [0,1,0,1,0,0|1,0,0]=3 494 B14R1.6072 CC1COC(C)CN1C\C=C\C(O)=O Amb18296452 [0,1,0,1,0,0|2,0,0]=4 495 B14R1.14542 CC1CCCCCC(O)C=CC(=O)O1 Amb25343672 [0,1,0,1,0,0|0,0,0]=2 496 B14R1.247 OC1CCCCCCCCC=CC1O Amb24736554 [0,1,0,1,0,0|0,0,2]=4 497 B14R1.247 OC1CCCCCCCCCC=C1F Amb25732410 [0,1,0,1,0,0|1,0,1]=4 498 B14R1.247 OC1CCCCCCCCCNC1=O Amb24375308 [0,1,0,1,0,0|1,0,1]=4 499 B14R1.483 CCCC1CCCCC1=NC(=O)NN Amb24501401 [0,1,0,1,0,0|2,0,0]=4 500 B14R1.709 COC(=O)\C=C\N1CCCCCC1C Amb24731035 [0,1,0,1,0,0|1,0,0]=3 501 B14R1.709 COC(=O)\C=C\N1CCSCCC1C Amb25232098 [0,1,0,1,0,0|2,0,0]=4 502 B14R1.716 COC(=O)C#CCCC1CCCCC1 Amb25207505 [0,1,0,1,0,0|0,0,2]=4 503 B14R1.738 COC(=O)C1=CCCCCCCC1O Amb25686296 [0,1,0,1,0,0|1,0,0]=3 504 B14R1.837 CC1COCCC1N\C=C\C(=O)OC Amb24728998 [0,1,0,1,0,0|2,0,0]=4 505 B14R1.837 COC(=O)\C=C\NC1CCCCC1O Amb25825479 [0,1,0,1,0,0|2,0,0]=4 506 B14R1.845 O=CC=1C=CCCCCCCCCC1 Amb24605331 [0,1,0,1,0,0|1,0,0]=3 507 B14R1.1586 COC(=O)C#CCC1CCCCCC1 Amb25067530 [0,1,0,1,0,0|0,0,2]=4 508 B14R1.1586 COC(=O)\C=C\NC1CCCCCC1 Amb24687084 [0,1,0,1,0,0|1,0,0]=3 509 B14R1.7684 COC(=O)\C=C\C1CCCCCCC1 Amb25709518 [0,1,0,1,0,0|0,0,0]=2 510 B14R1.161 CC(=CCC1CCCCC1=O)C(O)=O Amb24540783 [0,1,0,1,0,0|1,0,1]=4 511 B14R1.161 CC1CCCCC1CNC(=O)C(O)=O Amb18980003 [0,1,0,1,0,0|1,0,0]=3 512 B14R1.161 CC1COCCC1CNC(=O)C(O)=O Amb25077882 [0,1,0,1,0,0|2,0,0]=4 513 B14R1.161 CN1CCCCC1CNC(=O)C(O)=O Amb18983027 [0,1,0,1,0,0|2,0,0]=4 514 B14R1.161 OC(=O)C(=O)NCC1CCCCC1O Amb24473942 [0,1,0,1,0,0|2,0,0]=4 515 B14R1.328 N[C@@H]1CCCCC[C@H]1NC(=O)C(O)=O Amb25092517 [0,1,0,1,0,0|2,0,0]=4 516 B14R1.328 OC(=O)C(=O)NC1CCCCCC1O Amb24594276 [0,1,0,1,0,0|2,0,0]=4 517 B14R1.328 OC(=O)C(=O)N[C@@H]1CCCCC[C@H]1O Amb24516314 [0,1,0,1,0,0|2,0,0]=4 518 B14R1.1722 CCC1CCCCCN1C(=O)C(O)=O Amb24635262 [0,1,0,1,0,0|1,0,0]=3 519 B14R1.1722 OC(=O)C(=O)N1CCCCCC1CO Amb25769671 [0,1,0,1,0,0|2,0,0]=4 520 B14R1.3135 CCC1CCCCC1NC(=O)C(O)=O Amb18978400 [0,1,0,1,0,0|1,0,0]=3 521 B14R1.3135 CO[C@H]1CCCC[C@@H]1NC(=O)C(O)=O Amb24526414 [0,1,0,1,0,0|2,0,0]=4 522 B14R1.3135 C\C(=C\C1CCCCC1CC)\C(O)=O Amb24630684 [0,1,0,1,0,0|0,0,0]=2 523 B14R1.3135 OC(=O)C(=O)NC1CCCCC1CO Amb24632457 [0,1,0,1,0,0|2,0,0]=4 524 B14R1.3218 OC(=O)C(=O)NCCCN1CCCC1 Amb19038992 [0,1,0,1,0,0|2,0,0]=4 525 B14R1.4967 OC(=O)C=1CC(=O)CCCCCCC1 Amb24710315 [0,1,0,1,0,0|0,0,1]=3 526 B14R1.4967 OC(=O)C=1CCCCCCCC(O)C1 Amb24366620 [0,1,0,1,0,0|0,0,0]=2 527 B14R1.6426 CC1(CCCCCCCCC1)C(O)=O Amb24552864 [0,1,0,1,0,0|0,0,2]=4 528 B14R1.6449 C\C(=C\C=CC1CCCCC1)\C(O)=O Amb24710187 [0,1,0,1,0,0|0,0,2]=4 529 B14R1.6449 OC(=O)C(=O)NCCN1CCCCC1 Amb19017781 [0,1,0,1,0,0|2,0,0]=4 530 B14R1.10025 OC(=O)C(=O)N1CCCCCCCC1 Amb25044402 [0,1,0,1,0,0|1,0,0]=3 531 B14R1.10030 CC(=CCN1CCNCCC1)C(O)=O Amb24373285 [0,1,0,1,0,0|2,0,0]=4 532 B14R1.10030 CC(=CCN1CCSCCC1)C(O)=O Amb24393634 [0,1,0,1,0,0|2,0,0]=4 533 B14R1.10030 OC(=O)C(=O)\C=C\C1CCCCCC1 Amb25303470 [0,1,0,1,0,0|0,0,1]=3 534 B14R1.10030 OC(=O)C(F)=CCC1CCCCCC1 Amb24569305 [0,1,0,1,0,0|0,0,0]=2 535 B14R1.10072 CC(=CC1CCCCCCC1)C(C)=O Amb25747739 [0,1,0,1,0,0|1,0,0]=3 536 B14R1.10072 CC(=CC1CCCCCCC1)C(O)=O Amb25229442 [0,1,0,1,0,0|0,0,0]=2 537 B14R1.10072 CC(=CC=1CCCCCCC1)C(O)=O Amb25327820 [0,1,0,1,0,0|0,0,2]=4 538 B14R1.10072 CC(NC1CCCCCCC1)C(O)=O Amb18978550 [0,1,0,1,0,0|1,0,1]=4 539 B14R1.10072 C[C@@H](NC1CCCCCCC1)C(O)=O Amb24360141 [0,1,0,1,0,0|1,0,1]=4 540 B14R1.10072 C[C@H](NC1CCCCCCC1)C(O)=O Amb24390628 [0,1,0,1,0,0|1,0,1]=4 541 B14R1.10072 C\C(=C/C=1CCCCCCC1)\C(O)=O Amb24358048 [0,1,0,1,0,0|0,0,2]=4 542 B14R1.10072 N[C@@H](CC1CCCCCCC1)C(O)=O Amb25846297 [0,1,0,1,0,0|0,0,2]=4 543 B14R1.10072 N[C@H](CC1CCCCCCC1)C(O)=O Amb24412235 [0,1,0,1,0,0|0,0,2]=4 544 B14R1.10072 OC(=O)C(=O)CC1CCCCCCC1 Amb25246019 [0,1,0,1,0,0|0,0,1]=3 545 B14R1.10072 OC(=O)C(F)CC1CCCCCCC1 Amb25078456 [0,1,0,1,0,0|0,0,2]=4 546 B14R1.160 OC(=O)\C=C\C(=O)N1CCCCC1C Amb1115790 [0,1,0,1,0,0|1,0,1]=4 547 B14R1.238 CC1CCCC1NC(=O)\C=C\C(O)=O Amb24447221 [0,1,0,1,0,0|1,0,1]=4 548 B14R1.423 O=C(NC1CCCCC1)\C=C\C(=O)O Amb1155188 [0,1,0,1,0,0|1,0,1]=4 549 B14R1.3597 CCC1CN(CCCO1)\C=C\C(O)=O Amb24530414 [0,1,0,1,0,0|2,0,0]=4 550 B14R1.10371 O=C(N1CCCCCC1)\C=C\C(=O)O Amb1113185 [0,1,0,1,0,0|1,0,1]=4 551 B14R1.814 OC(=O)CC1CCCCC1=CC(O)=O Amb25201531 [0,1,0,1,0,0|1,0,1]=4 552 B14R1.4522 OC(=O)\C=C\C1CCCCC1C(O)=O Amb25784065 [0,1,0,1,0,0|1,0,1]=4 553 B14R1.4522 OC(=O)\C=C\[C@H]1CCCC[C@@H]1C(O)=O Amb24511941 [0,1,0,1,0,0|1,0,1]=4 554 B14R1.6315 CC1(C)CCCCC1N\C=C\C(O)=O Amb25169952 [0,1,0,1,0,0|1,0,0]=3 555 B14R1.6315 CC1(C)COCCN1C\C=C\C(O)=O Amb18296461 [0,1,0,1,0,0|2,0,0]=4 556 B14R1.6359 CC1(C)CCCC1CN\C=C\C(O)=O Amb25184623 [0,1,0,1,0,0|1,0,0]=3 557 B14R1.6359 OC(=O)\C=C\NCC1CCCC1(F)F Amb25269177 [0,1,0,1,0,0|2,0,0]=4 558 B14R1.1865 CC1CN(\C=C\C(O)=O)C(CO1)CC Amb25098736 [0,1,0,1,0,0|2,0,0]=4 559 B14R1.4920 CC1CCCC(C)N1C\C=C\C(O)=O Amb18296448 [0,1,0,1,0,0|1,0,0]=3 560 B14R1.16462 CC1(CCCCC1)\C=C\C=CC(O)=O Amb24602698 [0,1,0,1,0,0|0,0,2]=4 561 B14R1.16462 CC1(CN\C=C\C(O)=O)CCOCC1 Amb25357119 [0,1,0,1,0,0|2,0,0]=4 562 B14R1.16462 OC(=O)\C=C\C#CC1(O)CCCCC1 Amb25061281 [0,1,0,1,0,0|0,0,2]=4 563 B14R1.16462 OC(=O)\C=C\NCC1(O)CCOCC1 Amb24658849 [0,1,0,1,0,0|2,0,0]=4 564 B14R1.154 CC1C(C)OCCN1C\C=C\C(O)=O Amb24636158 [0,1,0,1,0,0|2,0,0]=4 565 B14R1.154 CC1CCCN(C\C=C\C(O)=O)C1C Amb18296462 [0,1,0,1,0,0|1,0,0]=3 566 B14R1.677 CC1CCC(CC1)\C=C\C=CC(O)=O Amb24591360 [0,1,0,1,0,0|0,0,2]=4 567 B14R1.677 CC1CCC(CN\C=C\C(O)=O)CC1 Amb25308636 [0,1,0,1,0,0|1,0,0]=3 568 B14R1.677 CN1CCC(CN\C=C\C(O)=O)CC1 Amb25214062 [0,1,0,1,0,0|2,0,0]=4 569 B14R1.677 OC1CCC(CN\C=C\C(O)=O)CC1 Amb24400782 [0,1,0,1,0,0|1,0,0]=3 570 B14R1.1134 CC(CC)C1CCCCCC1C(O)=O Amb25330257 [0,1,0,1,0,0|0,0,2]=4 571 B14R1.337 CC1CCCCC1NC(=O)CC(O)=O Amb18987398 [0,1,0,1,0,0|1,0,1]=4 572 B14R1.443 CC=1CC(CC(=O)C1)CCCCCC Amb20621618 [0,1,0,1,0,0|1,0,0]=3 573 B14R1.443 CCCCCCC1NC(=NC(=O)C1)O Amb2450310 [0,1,0,1,0,0|2,0,0]=4 574 B14R1.818 NC(=O)NC(=O)CCC1CCCCC1 Amb25110413 [0,1,0,1,0,0|2,0,0]=4 575 B14R1.840 CC(C)=CC(=O)C1CCCCC1CC Amb24457129 [0,1,0,1,0,0|2,0,0]=4 576 B14R1.13044 CC(C)=CC(=O)C1CCCCCCC1 Amb25069974 [0,1,0,1,0,0|2,0,0]=4 577 B14R1.13044 N[C@@H](CC(O)=O)C1CCCCCCC1 Amb24337081 [0,1,0,1,0,0|0,0,2]=4 578 B14R1.13044 OC(=O)CC(=O)N1CCCCCCC1 Amb18959579 [0,1,0,1,0,0|1,0,1]=4 579 B14R1.13081 CC(C)=CC(=O)CC1CCCCCC1 Amb24455341 [0,1,0,1,0,0|2,0,0]=4 580 B14R1.13081 CC(CN1CCNCCC1)=CC(O)=O Amb25753646 [0,1,0,1,0,0|2,0,0]=4 581 B14R1.13081 C\C(=C\C(C)=O)\NC1CCCCCC1 Amb24617912 [0,1,0,1,0,0|2,0,0]=4 582 B14R1.13081 O=C(CC(=O)O)NC1CCCCCC1 Amb17402289 [0,1,0,1,0,0|1,0,1]=4 583 B14R2.13 CCC1CCCC12CC(=O)C=CO2 Amb25816072 [0,0,0,2,0,0|2,0,0]=4 584 B14R2.21 O=C1CC(OC=C1)C2CCCCC2 Amb24469918 [0,0,0,2,0,0|2,0,0]=4 585 B14R2.21 O=C1C[C@H](CC=C1)C2CCCCC2 Amb24686472 [0,0,0,2,0,0|1,0,0]=3 586 B14R2.7841 O=C1CC2CC(CCCCCC2)=C1 Amb24380783 [0,0,0,2,0,0|1,0,0]=3 587 B14R2.23229 O=C1CC2(CCCCCC2)OC=C1 Amb25055054 [0,0,0,2,0,0|2,0,0]=4 588 B14R2.12 CCC1CCCCC12CNC(=O)O2 Amb24719971 [0,0,0,2,0,0|1,0,1]=4 589 B14R2.19 O=C1C=CC(N1)OC2CCCCC2 Amb25703676 [0,0,0,2,0,0|2,0,0]=4 590 B14R2.19 O=C1C=CC(O1)SC2CCCCC2 Amb24525294 [0,0,0,2,0,0|1,0,0]=3 591 B14R2.19 O=C1NCC(CC2CCCCC2)O1 Amb24438974 [0,0,0,2,0,0|1,0,1]=4 592 B14R2.4359 O=C1C=CC(O1)C2CCCCCN2 Amb25069835 [0,0,0,2,0,0|1,0,0]=3 593 B14R2.4933 O=C1CC2CCCCCCCC2=C1 Amb25320043 [0,0,0,2,0,0|1,0,0]=3 594 B14R2.28862 O=C1CC2(CCCCCCC2)C=C1 Amb25371910 [0,0,0,2,0,0|1,0,0]=3 595 B14R2.28862 OC1CC2(CCCCCCC2)C=C1 Amb25285723 [0,0,0,2,0,0|1,0,1]=4 596 B14R2.2 OC(=O)CC1CCC2CCCCC12 Amb24639217 [0,0,0,2,0,0|0,0,2]=4 597 B14R2.2 OC(=O)CN1CCC2CCCCC12 Amb25828246 [0,0,0,2,0,0|1,0,1]=4 598 B14R2.2 OC(=O)\C=C/1\CCN2CCCCC21 Amb25846594 [0,0,0,2,0,0|1,0,0]=3 599 B14R2.450 CC1C(OC2CCCCC21)C(O)=O Amb23589671 [0,0,0,2,0,0|1,0,1]=4 600 B14R2.781 CC(=O)C1=CCC2C(C1)CCCC2 Amb17594556 [0,0,0,2,0,0|1,0,0]=3 601 B14R2.781 CC(=O)C=1CCC2CCCCN2C1 Amb25066312 [0,0,0,2,0,0|2,0,0]=4 602 B14R2.781 OC(=O)C1CCC2C(C1)CCCC2 Amb10553405 [0,0,0,2,0,0|0,0,2]=4 603 B14R2.781 OC(=O)C1CCC2C(N1)CCCC2 Amb1135800 [0,0,0,2,0,0|1,0,1]=4 604 B14R2.781 OC(=O)C1CCC2CCCCC2N1 Amb19149342 [0,0,0,2,0,0|1,0,1]=4 605 B14R2.781 OC(=O)C1C[C@@H]2CCCC[C@H]2CC1 Amb24670520 [0,0,0,2,0,0|0,0,2]=4 606 B14R2.781 OC(=O)C1C[C@H]2CCCC[C@H]2CN1 Amb24744720 [0,0,0,2,0,0|1,0,1]=4 607 B14R2.781 OC(=O)C1NCC2C(C1)CCCC2 Amb10067011 [0,0,0,2,0,0|1,0,1]=4 608 B14R2.781 OC(=O)C=1CC2CCCCC2CC1 Amb25120922 [0,0,0,2,0,0|0,0,0]=2 609 B14R2.781 OC(=O)[C@@H]1CC2CCCCC2CN1 Amb24330221 [0,0,0,2,0,0|1,0,1]=4 610 B14R2.781 OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2CC1 Amb25362227 [0,0,0,2,0,0|0,0,2]=4 611 B14R2.781 OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2CN1 Amb24709362 [0,0,0,2,0,0|1,0,1]=4 612 B14R2.781 OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2CC1 Amb24739633 [0,0,0,2,0,0|0,0,2]=4 613 B14R2.781 OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2CN1 Amb24632236 [0,0,0,2,0,0|1,0,1]=4 614 B14R2.781 OC(=O)[C@H]1NC[C@@H]2[C@H](C1)CCCC2 Amb13886423 [0,0,0,2,0,0|1,0,1]=4 615 B14R2.781 OC(=O)[C@H]1NC[C@@H]2[C@H](C1)CCCC2 Amb2382893 [0,0,0,2,0,0|1,0,1]=4 616 B14R2.9466 OC(=O)C#CC1CC2CCC1CC2 Amb24722466 [0,0,0,2,0,0|0,0,2]=4 617 B14R2.9466 OC(=O)CNC1CC2CCC1CC2 Amb25370266 [0,0,0,2,0,0|1,0,1]=4 618 B14R2.13811 CCC12CC(=O)C=CC1CCCC2 Amb25833612 [0,0,0,2,0,0|1,0,0]=3 619 B14R2.21868 OC(=O)\C=C\N1CCN2CC1CC2 Amb25283410 [0,0,0,2,0,0|2,0,0]=4 620 B14R2.9451 OC(=O)CCC1CCC2CCCC12 Amb24518920 [0,0,0,2,0,0|0,0,2]=4 621 B14R2.9499 OC(=O)C#CCC1CC2CC1CC2 Amb25042140 [0,0,0,2,0,0|0,0,2]=4 622 B14R2.9499 OC(=O)\C=C\CN1CC2CC1CC2 Amb18988794 [0,0,0,2,0,0|1,0,0]=3 623 B14R2.9499 OC(=O)\C=C\NC1CC2CC1CC2 Amb25157157 [0,0,0,2,0,0|1,0,0]=3 624 B14R2.768 CC(=O)C=C1CC2CCCCC2C1 Amb25034111 [0,0,0,2,0,0|1,0,0]=3 625 B14R2.768 CC(=O)C=C1C[C@H]2CCCC[C@@H]2C1 Amb24573462 [0,0,0,2,0,0|1,0,0]=3 626 B14R2.768 OC(=O)CC=1CC2CCCCC2C1 Amb24366129 [0,0,0,2,0,0|0,0,2]=4 627 B14R2.768 OC(=O)CC=1C[C@H]2CCCC[C@@H]2C1 Amb24626636 [0,0,0,2,0,0|0,0,2]=4 628 B14R2.768 OC(=O)CN1CC2CCCCC2C1 Amb25749226 [0,0,0,2,0,0|1,0,1]=4 629 B14R2.4940 CC(=O)C1=CCC2CCC1CN2C Amb25767082 [0,0,0,2,0,0|2,0,0]=4 630 B14R2.4940 CC(=O)C1=CC[C@H]2CC[C@@H]1CN2C Amb25320021 [0,0,0,2,0,0|2,0,0]=4 631 B14R2.5443 CC1CCCCC1C2CC2C(O)=O Amb25368729 [0,0,0,2,0,0|0,0,2]=4 632 B14R2.5920 CC(=O)C1=CCC2CCCC1N2C Amb25768470 [0,0,0,2,0,0|2,0,0]=4 633 B14R2.11002 CC12CC1CCC2\C=C\CC(O)=O Amb24608186 [0,0,0,2,0,0|0,0,2]=4 634 B14R2.31233 CC(=O)C1=CCC2CCCCC12C Amb25202688 [0,0,0,2,0,0|1,0,0]=3 635 B14R2.31233 CC12CCCCC1CCC2C(O)=O Amb25082844 [0,0,0,2,0,0|0,0,2]=4 636 B14R2.31233 CC12CCCCC1CNC2C(O)=O Amb24558166 [0,0,0,2,0,0|1,0,1]=4 637 B14R2.36485 OC(=O)\C=C\C=C1CCCC2CC12 Amb24691256 [0,0,0,2,0,0|0,0,2]=4 638 B14R2.4 CC1CCC2C1COC=C2C(O)=O Amb25260351 [0,0,0,2,0,0|1,0,0]=3 639 B14R2.4 C[C@@H]1CC[C@@H]2[C@H]1COC=C2C(O)=O Amb23603857 [0,0,0,2,0,0|1,0,0]=3 640 B14R2.4 OC(=O)C1=CCCC2C1CCC2=O Amb25737911 [0,0,0,2,0,0|1,0,1]=4 641 B14R2.4 OC(=O)C1=CCC[C@H]2[C@@H]1CC[C@H]2O Amb24626611 [0,0,0,2,0,0|1,0,0]=3 642 B14R2.770 OC(=O)\C=C\N1CC2CCCC2C1 Amb24415977 [0,0,0,2,0,0|1,0,0]=3 643 B14R2.9422 OC(=O)[C@@H]1CCC[C@@H]2CCC[C@H]2N1 Amb24550161 [0,0,0,2,0,0|1,0,1]=4 644 B14R2.9516 OC(=O)C1CCCCC2CCCC21 Amb24374700 [0,0,0,2,0,0|0,0,2]=4 645 B14R2.9516 OC(=O)C=1C=CCCC2CCCC12 Amb24488910 [0,0,0,2,0,0|0,0,2]=4 646 B14R2.9516 OC(=O)[C@H]1CCCC[C@@H]2CCC[C@@H]21 Amb24610068 [0,0,0,2,0,0|0,0,2]=4 647 B14R2.30659 OC(=O)C12CCCCCC1CCC2 Amb24443706 [0,0,0,2,0,0|0,0,2]=4 648 B14R2.30659 OC(=O)[C@]12CCCCC[C@H]1CCC2 Amb24745791 [0,0,0,2,0,0|0,0,2]=4 649 B14R2.3104 CCCC1CC(=O)C=C2CCCC21 Amb24662347 [0,0,0,2,0,0|1,0,0]=3 650 B14R2.5313 O=C1CCCCCCC2CCC=C12 Amb25320047 [0,0,0,2,0,0|1,0,0]=3 651 B14R2.8028 O=C1C=C2CCCCCC2CC=C1 Amb24621657 [0,0,0,2,0,0|1,0,1]=4 652 B14R2.31338 OC(=O)C1CC2CCCCCC2N1 Amb18191979 [0,0,0,2,0,0|1,0,1]=4 653 B14R2.31338 OC(=O)[C@H]1C[C@H]2CCCCC[C@@H]2N1 Amb25302217 [0,0,0,2,0,0|1,0,1]=4 654 B14R2.9576 OC(=O)CC12CC1CCCCCC2 Amb25708355 [0,0,0,2,0,0|0,0,2]=4 655 B14R2.11012 OC(=O)CC1CCC2CC1CCC2 Amb25685341 [0,0,0,2,0,0|0,0,2]=4 656 B14R2.420 CC1CC2CCCC2C=CC(=O)C1 Amb24736320 [0,0,0,2,0,0|1,0,0]=3 657 B14R2.55 OC(=O)C1CCCC12CCCCC2 Amb25374968 [0,0,0,2,0,0|0,0,2]=4 658 B14R2.31359 OC(=O)C1=COCC2CCCCC12 Amb25300191 [0,0,0,2,0,0|1,0,0]=3 659 B14R2.31359 OC(=O)C1CCCC2CCCCC21 Amb22886529 [0,0,0,2,0,0|0,0,2]=4 660 B14R2.31359 OC(=O)C1CCC[C@@H]2CCCC[C@H]21 Amb24710442 [0,0,0,2,0,0|0,0,2]=4 661 B14R2.31359 OC(=O)C1NCC[C@H]2CCCC[C@H]21 Amb25326710 [0,0,0,2,0,0|1,0,1]=4 662 B14R2.31359 OC(=O)C=1CCCC2CCCCC12 Amb24711333 [0,0,0,2,0,0|0,0,0]=2 663 B14R2.31359 OC(=O)C=1CCCN2CCCNC21 Amb18192549 [0,0,0,2,0,0|2,0,0]=4 664 B14R2.31359 OC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 Amb25176113 [0,0,0,2,0,0|0,0,2]=4 665 B14R2.31359 OC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 Amb25286602 [0,0,0,2,0,0|0,0,2]=4 666 B14R2.31359 OC(=O)[C@@H]1NCC[C@@H]2CCCC[C@@H]21 Amb25295364 [0,0,0,2,0,0|1,0,1]=4 667 B14R2.31359 OC(=O)[C@H]1CCC[C@@H]2CCCC[C@@H]21 Amb24739634 [0,0,0,2,0,0|0,0,2]=4 668 B14R2.31359 OC(=O)[C@H]1CCC[C@H]2CCCC[C@H]21 Amb25173175 [0,0,0,2,0,0|0,0,2]=4 669 B14R2.76 OC(=O)CC1CCCC12CCCC2 Amb24438814 [0,0,0,2,0,0|0,0,2]=4 670 B14R2.763 OC(=O)C1=NCCC1C2CCCN2 Amb25037320 [0,0,0,2,0,0|2,0,0]=4 671 B14R2.763 OC(=O)C1NCCC1C2CCCC2 Amb24533942 [0,0,0,2,0,0|1,0,1]=4 672 B14R2.765 OC(=O)C1CCC1CC2CCCC2 Amb24642324 [0,0,0,2,0,0|0,0,2]=4 673 B14R2.9440 CC(=O)\C=C\1/CCCC2CCCN12 Amb24584551 [0,0,0,2,0,0|2,0,0]=4 674 B14R2.30919 OC(=O)CC1C2CCCC1CCC2 Amb24463134 [0,0,0,2,0,0|0,0,2]=4 675 B14R2.30919 OC(=O)CN1C2CCCC1CCC2 Amb25672003 [0,0,0,2,0,0|1,0,1]=4 676 B14R2.30999 OC(=O)CCC12CCCC1CCC2 Amb24443729 [0,0,0,2,0,0|0,0,2]=4 677 B14R2.30654 OC(=O)C12CCCCC1CCCC2 Amb18648658 [0,0,0,2,0,0|0,0,2]=4 678 B14R2.30654 OC(=O)[C@@]12CCCC[C@@H]1CCCC2 Amb25295441 [0,0,0,2,0,0|0,0,2]=4 679 B14R2.11049 OC(=O)CN1CCCC1C2CCC2 Amb25285528 [0,0,0,2,0,0|1,0,1]=4 680 B14R2.11049 OC(=O)CN1CCCC1C2CCC2 Amb25749228 [0,0,0,2,0,0|1,0,1]=4 681 B14R2.30687 OC(=O)C1CCCCCCC2CC21 Amb25702315 [0,0,0,2,0,0|0,0,2]=4 682 B14R2.30687 OC(=O)[C@H]1CCCCCC[C@@H]2C[C@@H]21 Amb24558220 [0,0,0,2,0,0|0,0,2]=4 683 B14R2.30847 OC(=O)C1C2CCCCCCCC21 Amb24724812 [0,0,0,2,0,0|0,0,2]=4 684 B14R2.30710 OC(=O)C1CC1C2CCCCCC2 Amb25780545 [0,0,0,2,0,0|0,0,2]=4